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86785-12-8 | Benzoic acid, 3-methyl-2-(1-naphthalenylcarbonyl)-
CAS No: 86785-12-8 Catalog No: AG004N30 MDL No:
Product Description
Catalog Number:
AG004N30
Chemical Name:
Benzoic acid, 3-methyl-2-(1-naphthalenylcarbonyl)-
CAS Number:
86785-12-8
Molecular Formula:
C19H14O3
Molecular Weight:
290.3127
IUPAC Name:
3-methyl-2-(naphthalene-1-carbonyl)benzoic acid
InChI:
InChI=1S/C19H14O3/c1-12-6-4-11-16(19(21)22)17(12)18(20)15-10-5-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H,21,22)
InChI Key:
YTIODIXTUPNVSG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(=O)c1cccc2c1cccc2)C
NSC Number:
625606
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.318g/mol
Monoisotopic Mass:
290.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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